aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42861 | 2.21 | 346.17 | C13H10ON6Br | CNC(=O)c1ccc(Nc2ncnc3c2N=C(Br)[N]3)cc1 |
|
AD42862 | 2.87 | 319.14 | C12H9ON5Br | Cc1cc(O)ccc1Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42863 | 2.75 | 366.14 | C12H9ON5I | Cc1cc(O)ccc1Nc1nc(I)nc2c1N=C[N]2 |
|
AD42864 | 2.42 | 353.15 | C11H10N6I | CCn1cc(Nc2ncnc3c2C(I)=C[N]3)cn1 |
|
AD42865 | 1.84 | 309.35 | C16H17ON6 | CC(C)(C)c1cccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)c1 |
|
AD42866 | 2.83 | 298.37 | C15H14ON4S | CCc1nc2ccc(C(=O)Nc3ccc(S)cc3)cn2n1 |
|
AD42867 | 3.26 | 289.4 | C15H19ON3S | Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc(S)cc1 |
|
AD42868 | 1.04 | 303.33 | C12H11O2N6S | CNS(=O)(=O)c1cccc(Nc2ncnc3c2N=C[N]3)c1 |
|
AD42869 | 3.03 | 311.79 | C15H14O3NClS | O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccc(O)cc1 |
|
AD42870 | 2.48 | 285.26 | C13H10ON6F | Cc1c(F)cccc1NC(=O)Nc1ncnc2c1N=C[N]2 |